PDB: 1811 件ウェブページステータス検索Chemie searchBIRD

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6L8B	The ligand-free structure of human PPARgamma LBD 分子名称: Peroxisome proliferator-activated receptor gamma 著者 Jang, D.M, Han, B.W. 登録日 2019-11-05 公開日 2020-09-16 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.102 Å) 主引用文献 Cyclin-Dependent Kinase 5 Inhibitor Butyrolactone I Elicits a Partial Agonist Activity of Peroxisome Proliferator-Activated Receptor gamma. Biomolecules, 10, 2020
6L6K	Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 分子名称: 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid, CALCIUM ION, Nuclear receptor coactivator 1, ... 著者 Shimizu, K, Numoto, N, Nakano, S, Makishima, M, Kakuta, H, Ito, N. 登録日 2019-10-29 公開日 2020-11-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 To Be Published
6PFM	Crystal structure of GDC-0927 bound to estrogen receptor alpha 分子名称: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor 著者 Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. 登録日 2019-06-21 公開日 2019-07-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
6L88	Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone 分子名称: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, Mineralocorticoid receptor 著者 Takahashi, M, Hanzawa, H. 登録日 2019-11-05 公開日 2020-02-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150). Febs Lett., 594, 2020
6LB4	Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator 分子名称: 1,2-ETHANEDIOL, 6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, ... 著者 Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. 登録日 2019-11-13 公開日 2020-11-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator To Be Published
6L38	X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization 分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2019-10-09 公開日 2020-11-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.761 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6L36	X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization 分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2019-10-09 公開日 2020-11-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.301 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LB6	Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator 分子名称: 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Imai, D, Numoto, N, Nakano, S, Kakuta, H, Ito, N. 登録日 2019-11-13 公開日 2020-11-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator To Be Published
6PIT	Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with SRC2 Stapled Peptide 41A and Estradiol 分子名称: ESTRADIOL, Estrogen receptor, Stapled Peptide 41A 著者 Fanning, S.W, Montgomery, J.E, Greene, G.L, Moellering, R.E. 登録日 2019-06-27 公開日 2019-10-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Versatile Peptide Macrocyclization with Diels-Alder Cycloadditions. J.Am.Chem.Soc., 141, 2019
2BJ4	ESTROGEN RECEPTOR ALPHA LBD IN COMPLEX WITH A PHAGE-DISPLAY DERIVED PEPTIDE ANTAGONIST 分子名称: 4-HYDROXYTAMOXIFEN, ESTROGEN RECEPTOR, PEPTIDE ANTAGONIST 著者 Kong, E, Heldring, N, Gustafsson, J.A, Treuter, E, Hubbard, R.E, Pike, A.C.W. 登録日 2005-01-28 公開日 2005-02-16 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Delineation of a Unique Protein-Protein Interaction Site on the Surface of the Estrogen Receptor Proc.Natl.Acad.Sci.USA, 102, 2005
6LO9	Crystal structure of RORgammat with ligand C46D bound 分子名称: 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma 著者 Feng, Y, Shijie, C. 登録日 2020-01-04 公開日 2021-01-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.86004949 Å) 主引用文献 Crystal structure of RORgammat with ligand C46D bound To Be Published
6P9F	Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor 分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid 著者 Sack, J. 登録日 2019-06-10 公開日 2019-07-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
6LX4	X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization 分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6LN4	Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a 分子名称: 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 著者 Yao, B.Q, Li, Y. 登録日 2019-12-28 公開日 2020-10-07 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
6LOB	Crystal structure of RORgammat with ligand C46D bound 分子名称: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide, Nuclear receptor ROR-gamma 著者 Feng, Y, Shijie, C. 登録日 2020-01-04 公開日 2021-01-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.40006661 Å) 主引用文献 Crystal structure of RORgammat with ligand C46D bound To Be Published
6MD4	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ... 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
6LX9	X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding 分子名称: ARACHIDONIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha 著者 Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. 登録日 2020-02-10 公開日 2020-11-11 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
6MD1	Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid 分子名称: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma 著者 Shang, J, Kojetin, D.J. 登録日 2018-09-03 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma. Elife, 7, 2018
6Q7A	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q6O	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6Q2W	Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist 分子名称: (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma 著者 Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. 登録日 2018-12-03 公開日 2019-05-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
6Q7H	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma 著者 Kallen, J. 登録日 2018-12-13 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019
6PSJ	Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain 分子名称: Bazedoxifene, Estrogen receptor 著者 Fanning, S.W, Greene, G.L. 登録日 2019-07-12 公開日 2019-11-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
6QJ5	X-ray structure of PPARgamma LBD with the ligand NV1380 分子名称: (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma 著者 Pochetti, G, Montanari, R, Capelli, D. 登録日 2019-01-22 公開日 2020-02-05 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities. J.Med.Chem., 63, 2020
6Q6M	RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors 分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate 著者 Kallen, J. 登録日 2018-12-11 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors. J.Med.Chem., 62, 2019

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